Monomers

2-Methoxyprop-2-enenitrile

Identifiers

IUPAC name
2-methoxyprop-2-enenitrile
InchI
InChI=1S/C4H5NO/c1-4(3-5)6-2/h1H2,2H3
InchI Key
PEIBTJDECFEPAF-UHFFFAOYSA-N
SMILES
COC(=C)C#N
Canonical SMILES
COC(=C)C#N
Isomeric SMILES
COC(=C)C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5NO
Heavy Atom Count
6
Molecular Weight
83.09
Exact Molecular Weight
83.0371
Valence Electrons
32
Radical Electrons
0
tPSA
33.02
MolLogP
0.6701
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -1.3106    0.1009   -1.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9258    0.0238    0.2032 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3924    0.0440    0.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9201   -1.0705    1.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1790    1.2592    0.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7954    2.2379    0.5829 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9192   -0.7157   -1.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4192    0.0662   -1.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0267    1.0782   -1.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3760   -1.9789    1.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9386   -1.0450    1.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  3  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  4 10  1  0
  4 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers